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Chemical structure of 8-Nitroguanine

GC18426

8-Nitroguanine

Also known as 2-amino-8-nitro-1,7-dihydropurin-6-one

8-Nitroguanine is a nitrative guanine derivative formed by oxidative damage to the guanine base in DNA by reactive nitrogen species (RNS) during inflammation and in vitro by reaction of DNA with peroxynitrite and other RNS reagents

ChemicalCAS168701-80-2MW196.1FormulaC5H4N6O3
CAS number
168701-80-2
Molecular weight
196.1
Formula
C5H4N6O3
Solubility
1 M NaOH: 50 mg/ml
InChIKey
IYHJRKNFFYAOGE-UHFFFAOYSA-N
Catalogue number
GC18426
Brand
GLPBIO
Computed properties PubChem CID 135482067 · XLogP -0.9 · TPSA 142 Ų · H-bond donors 3
XLogP
-0.9
TPSA
142 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
14

SMILES C12=C(N=C(NC1=O)N)N=C(N2)[N+](=O)[O-]

Computed descriptors from PubChem (CID 135482067), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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